Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 5/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.38 |
| ▸ | EGFR | P00533 | 3/20 | 0.38 |
| ▸ | FRK | P42685 | 3/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.38 |
| ▸ | SLK | Q9H2G2 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28238025 | 0.89 | MAPK9 (0.40) | GRM5MAPK9MAP4K4EGFRFRK | |
| SCHEMBL28328203 | 0.80 | MAPK14 (0.37) | GRM5MAPK9MAP4K4EGFRFRK | |
| SCHEMBL16972248 | 0.75 | KMO (0.38) | GRM5 | |
| SCHEMBL17439973 | 0.74 | KMO (0.54) | GRM5MAPK9MAP4K4EGFRFRK | |
| Bromide SCHEMBL16971416 | 0.73 | KMO (0.38) | — | |
| SCHEMBL1445849 | 0.73 | MAPK14 (0.41) | GRM5MAPK9MAP4K4EGFRFRK | |
| SCHEMBL16971664 | 0.71 | UTRN (0.36) | EGFR | |
| SCHEMBL13910999 | 0.71 | HSP90AA1 (0.50) | GRM5MAPK9MAP4K4EGFRFRK | |
| SCHEMBL8615570 | 0.70 | MPL (0.41) | MAPK9MAP4K4EGFRFRKCSNK1A1 | |
| SCHEMBL2407383 | 0.69 | GRM5 (0.58) | GRM5MAPK9MAP4K4EGFRFRK |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105980384-B | Macrocyclic compounds having a heterocyclic P2' group as factor XIA inhibitors | 百时美施贵宝公司 | 2019-11-15 | — | — | CN | disclosed |